SCHEMBL430714

SCHEMBL430714

COC1=C(c2c(C)cc(C)cc2C)C(=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.31
BRD4 O60885 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19279527 0.89 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL1652644 0.86 PTGS1 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL987005 0.86 KDM4E (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2119804 0.81 KDM4E (0.31) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1653632 0.81 PDE4B (0.38) KDM4EALDH1A1GAAHPGDBRD4
SCHEMBL14992891 0.81
SCHEMBL19279449 0.79 KDM4E (0.36) KDM4E
SCHEMBL19279576 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16398831 0.77 CSF1R (0.34)
SCHEMBL515849 0.76 MAOB (0.44) ALDH1A1HPGDBRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142586-B Ketone or oxime compounds and herbicides 日产化学株式会社 2023-05-09 CN disclosed
EP-4053097-A1 KETONE COMPOUND AS HERBICIDE Corteva Agriscience LLC (US) 2022-09-07 EP disclosed
EP-3235799-B1 OXIME COMPOUND AND HERBICIDE NISSAN CHEMICAL CORP (JP) 2022-02-23 EP disclosed
US-11000033-B2 Ketone or oxime compound, and herbicide NISSAN CHEMICAL CORPORATION (JP) 2021-05-11 US disclosed
CN-112142586-A Ketone or oxime compound, and herbicide 日产化学株式会社 2020-12-29 CN disclosed
CN-107001220-B Ketone or oxime compound, and herbicide 日产化学株式会社 2020-10-20 CN disclosed
CN-107074755-B Herbicidal compounds 先正达参股股份有限公司 2020-03-17 CN disclosed
US-20200077650-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL CORPORATION (JP) 2020-03-12 US disclosed
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2019-08-13 US disclosed
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2019-08-13 US disclosed
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-10-27 US disclosed
EP-2375898-A1 NOVEL HERBICIDES Syngenta Participations AG (CH) 2011-10-19 EP disclosed
WO-2011073060-A2 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2011-06-23 WO disclosed
WO-2011073060-A2 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2011-06-23 WO disclosed
EP-2313370-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES Syngenta Limited (GB) 2011-04-27 EP disclosed
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 WO disclosed
WO-2010069834-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed
WO-2010069834-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed
WO-2010000773-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA LIMITED (GB) 2010-01-07 WO disclosed
WO-2010000773-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA LIMITED (GB) 2010-01-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11000033-B2 Ketone or oxime compound, and herbicide OR10J3, CYP1B1, CBR3 KDM4E 446/4885ALDH1A1 493/4885GLA 4195/4885
US-20200077650-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 KDM4E 446/4885ALDH1A1 493/4885GLA 4195/4885
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof DDT, HDHD5, CNPY2 KDM4E 741/4885ALDH1A1 181/4885GLA 4144/4885
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES DDT, CYP1B1, AHR KDM4E 888/4885ALDH1A1 50/4885GLA 2766/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.